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  1. Third-Parties
  2. MatprojStructure
  3. mp-557963

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-557963
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Cr', 'Si', 'Br', 'O']
  • Chemical System: Br-Cr-O-Si
  • Density: 3.883844879186213
  • Atomic Density: 0.06545944325766026
  • Unit Cell Volume: 916.5980798802259
  • Molar Volume: 9.199804428974074
  • Full Formula: Cr16 Si8 Br8 O28
  • Reduced Formula: Cr4Si2Br2O7
  • Formula Anonymous: A2B2C4D7
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -489.87079395000006
  • Final energy per atom: -8.164513232500001
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.